2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C10H16N2 — CID 130614568

IUPAC2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESC=CCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C10H16N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3H,1,4-8H2,2H3
InChIKeyXBFJEVVCWSNYRK-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.73
Rot. Bonds2

About 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 130614568) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID130614568
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESC=CCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C10H16N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3H,1,4-8H2,2H3
InChIKeyXBFJEVVCWSNYRK-UHFFFAOYSA-N
XLogP0.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 130614568) is 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is C=CCN1CC2=C(CN(C)C2)C1.
What is the InChIKey of 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is XBFJEVVCWSNYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h3H,1,4-8H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 164.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).